6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide

C9H16N4O3S — CID 106181963

IUPAC6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide
SMILESCOCC(CN)Nc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H16N4O3S/c1-16-6-7(4-10)13-9-3-2-8(5-12-9)17(11,14)15/h2-3,5,7H,4,6,10H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHSYMSHKPACWVTP-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.89
Rot. Bonds6

About 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide

6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide (PubChem CID 106181963) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide
PubChem CID106181963
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide
SMILESCOCC(CN)Nc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H16N4O3S/c1-16-6-7(4-10)13-9-3-2-8(5-12-9)17(11,14)15/h2-3,5,7H,4,6,10H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyHSYMSHKPACWVTP-UHFFFAOYSA-N
XLogP-0.89
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-N-pyridin-4-ylpropane-1,2-diamine
CID 106182027
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
CID 60653849
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
CID 106182176
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
CID 106181473
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
2-N-(1-methoxybutan-2-yl)-5-N,5-N-dimethylpyridine-2,5-diamine
CID 115921521
6-anilinopyridine-3-sulfonamide
CID 154206301
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide (CID 106181963) is 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide is COCC(CN)Nc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide?
The InChIKey is HSYMSHKPACWVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-16-6-7(4-10)13-9-3-2-8(5-12-9)17(11,14)15/h2-3,5,7H,4,6,10H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide?
6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 106181963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).